N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride

C15H19Cl2N3O2S — CID 120947898

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC1CNCC1O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C15H17N3O2S.2ClH/c19-13-8-16-6-11(13)7-17-14(20)12-9-21-15(18-12)10-4-2-1-3-5-10;;/h1-5,9,11,13,16,19H,6-8H2,(H,17,20);2*1H
InChIKeyFCTMTHMFCGDQCC-UHFFFAOYSA-N
MW376.31 g/mol
LogP1.96
Rot. Bonds4

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 120947898) has the molecular formula C15H19Cl2N3O2S and a molecular weight of 376.31 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID120947898
Molecular FormulaC15H19Cl2N3O2S
Molecular Weight376.31 g/mol
Exact Mass375.06
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCC1CNCC1O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C15H17N3O2S.2ClH/c19-13-8-16-6-11(13)7-17-14(20)12-9-21-15(18-12)10-4-2-1-3-5-10;;/h1-5,9,11,13,16,19H,6-8H2,(H,17,20);2*1H
InChIKeyFCTMTHMFCGDQCC-UHFFFAOYSA-N
XLogP1.96
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.31
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120943497
N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-2-carboxamide;dihydrochloride
CID 120946232
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 120947563
N-ethyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 17398194
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-phenyl-1,2-thiazole-5-carboxamide;hydrochloride
CID 120946394
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;hydrochloride
CID 120945888
2-phenyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119453994
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 120948693
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120948240
5-(furan-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2-oxazole-3-carboxamide;hydrochloride
CID 120944619
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide;hydrochloride
CID 120945682
2-phenyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 18105647

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride (CID 120947898) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride is Cl.Cl.O=C(NCC1CNCC1O)c1csc(-c2ccccc2)n1.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is FCTMTHMFCGDQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S.2ClH/c19-13-8-16-6-11(13)7-17-14(20)12-9-21-15(18-12)10-4-2-1-3-5-10;;/h1-5,9,11,13,16,19H,6-8H2,(H,17,20);2*1H.
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 376.31 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120947898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).